5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C15H13F3N6O2 — CID 174188354

IUPAC5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3c(F)cnc23)CC1(F)F
InChIInChI=1S/C15H13F3N6O2/c1-7-5-23(6-15(7,17)18)10-2-9(8-3-20-14(26)21-13(8)25)22-24-11(16)4-19-12(10)24/h2-4,7H,5-6H2,1H3,(H2,20,21,25,26)
InChIKeyJVCSOAJKJWPLAX-UHFFFAOYSA-N
MW366.30 g/mol
LogP1.00
Rot. Bonds2

About 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 174188354) has the molecular formula C15H13F3N6O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID174188354
Molecular FormulaC15H13F3N6O2
Molecular Weight366.30 g/mol
Exact Mass366.11
IUPAC Name5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3c(F)cnc23)CC1(F)F
InChIInChI=1S/C15H13F3N6O2/c1-7-5-23(6-15(7,17)18)10-2-9(8-3-20-14(26)21-13(8)25)22-24-11(16)4-19-12(10)24/h2-4,7H,5-6H2,1H3,(H2,20,21,25,26)
InChIKeyJVCSOAJKJWPLAX-UHFFFAOYSA-N
XLogP1.00
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 174188354) is 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is CC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3c(F)cnc23)CC1(F)F.
What is the InChIKey of 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is JVCSOAJKJWPLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O2/c1-7-5-23(6-15(7,17)18)10-2-9(8-3-20-14(26)21-13(8)25)22-24-11(16)4-19-12(10)24/h2-4,7H,5-6H2,1H3,(H2,20,21,25,26).
What are the key properties of 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 366.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3,3-difluoro-4-methylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174188354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).